diethyl (2S)-2-[[3-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[3-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]propyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-[3-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]propyl]benzoyl]amino]glutaric acid diethyl ester Formula: C23H31N5O6S MolecularWeight: 505.58714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=CC=C1)CCCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC(=CC=C1)CCCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C23H31N5O6S/c1-3-33-17(29)11-10-16(22(32)34-4-2)26-20(30)15-9-5-7-14(13-15)8-6-12-35-18-19(24)27-23(25)28-21(18)31/h5,7,9,13,16H,3-4,6,8,10-12H2,1-2H3,(H,26,30)(H5,24,25,27,28,31)/t16-/m0/s1